[gmx-users] Topology files
kirtana S
skirtana4 at gmail.com
Tue Feb 28 23:56:09 CET 2012
Thanks for the documentation. Again I have a ligand terminated silica
nanoparticle ,what can be the easiest way to approach the topology file
for this.
On Tue, Feb 28, 2012 at 5:46 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> kirtana S wrote:
>
>> For example if I have a polystyrene polymer chains and monomers of user
>> defined solvent . I need to construct the .itp file by hand .
>>
>
> Polystyrene is most easily generated using .rtp entries in pdb2gmx. The
> solvent can be described by manually created .itp files.
>
> http://www.gromacs.org/**Documentation/How-tos/Polymers<http://www.gromacs.org/Documentation/How-tos/Polymers>
>
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
> --
> gmx-users mailing list gmx-users at gromacs.org
> http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users>
> Please search the archive at http://www.gromacs.org/**
> Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before posting!
> Please don't post (un)subscribe requests to the list. Use the www
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120228/0db258de/attachment.html>
More information about the gromacs.org_gmx-users
mailing list